4-azanyl-1-[2-[(3-carboxyphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-azanyl-1-[2-[(3-carboxyphenyl)carbamoylamino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-amino-1-[2-[(3-carboxyphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 4-amino-1-[2-[[(3-carboxyanilino)-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-amino-1-[2-[(3-carboxyphenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-amino-1-[2-[(3-carboxyphenyl)carbamoylamino]acetyl]proline Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)N

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)N

InChI

InChI=1S/C15H18N4O6/c16-9-5-11(14(23)24)19(7-9)12(20)6-17-15(25)18-10-3-1-2-8(4-10)13(21)22/h1-4,9,11H,5-7,16H2,(H,21,22)(H,23,24)(H2,17,18,25)